General Information of the Compound
| Compound ID |
CP0461826
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| Compound Name |
1,6-Dibenzyl-indan-1-carboxylic acid phenethyl-amide
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| Structure |
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| Formula |
C32H31NO
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| Molecular Weight |
445.606
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| Canonical SMILES |
O=C(NCCc1ccccc1)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc12
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| InChI |
InChI=1S/C32H31NO/c34-31(33-21-19-25-10-4-1-5-11-25)32(24-27-14-8-3-9-15-27)20-18-29-17-16-28(23-30(29)32)22-26-12-6-2-7-13-26/h1-17,23H,18-22,24H2,(H,33,34)
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| InChIKey |
IDVYVVGIQIVDOX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01199, Neuromedin-K receptor
Protein ID: PT01410, Substance-P receptor